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CHEBI:51918 - nafcillin(1−)

ChEBI IDCHEBI:51918
ChEBI Namenafcillin(1−)
Stars
ASCII Namenafcillin(1-)
Last Modified12 March 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H21N2O5S
Net Charge-1
Average Mass413.475
Monoisotopic Mass413.11767
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12
InChIInChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/p-1/t15-,16+,19-/m1/s1
InChIKeyGPXLMGHLHQJAGZ-JTDSTZFVSA-M
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
nafcillin(1−) (CHEBI:51918) is a penicillinate anion (CHEBI:51356)
nafcillin(1−) (CHEBI:51918) is conjugate base of nafcillin (CHEBI:7447)
Incoming Relation(s)
nafcillin sodium (CHEBI:7448) has part nafcillin(1−) (CHEBI:51918)
nafcillin (CHEBI:7447) is conjugate acid of nafcillin(1−) (CHEBI:51918)
IUPAC Name 
6β-(2-ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3α-carboxylate
Synonym  Source
(2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
Registry NumbersSources
Beilstein:4279301Beilstein